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    Technical details about Isoamyl Acetate, learn more about the structure, uses, toxicity, action, side effects and more

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    Isoamyl Acetate

    PRICE INFORMATION

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    2D Structure
    1. Also known as: 3-methylbutyl acetate, Isopentyl acetate, 123-92-2, Isopentyl ethanoate, 3-methylbutyl ethanoate, Isoamyl ethanoate
    Molecular Formula
    C7H14O2
    Molecular Weight
    130.18  g/mol
    InChI Key
    MLFHJEHSLIIPHL-UHFFFAOYSA-N
    FDA UNII
    Z135787824
    isoamyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methylbutyl acetate
    2.1.2 InChI
    InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
    2.1.3 InChI Key
    MLFHJEHSLIIPHL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CCOC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    Z135787824
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Isopentyl Acetate

    2. Isopentylacetate

    2.3.2 Depositor-Supplied Synonyms

    1. 3-methylbutyl Acetate

    2. Isopentyl Acetate

    3. 123-92-2

    4. Isopentyl Ethanoate

    5. 3-methylbutyl Ethanoate

    6. Isoamyl Ethanoate

    7. Iso-amyl Acetate

    8. 3-methyl-1-butyl Acetate

    9. Amylacetic Ester

    10. I-amyl Acetate

    11. Isopentyl Alcohol, Acetate

    12. 3-methyl-1-butanol Acetate

    13. 1-butanol, 3-methyl-, Acetate

    14. 2-methylbutyl Ethanoate

    15. Acetic Acid, Isopentyl Ester

    16. Acetic Acid 3-methylbutyl Ester

    17. Amyl Acetate, Common

    18. Acetic Acid, 3-methylbutyl Ester

    19. 3-methyl-1-butanol, Acetate

    20. Fema No. 2055

    21. Isoamylester Kyseliny Octove

    22. Nsc 9260

    23. 1-butanol, 3-methyl-, 1-acetate

    24. Acetic Acid Isoamyl Ester

    25. 3-methyl-but-1-yl Acetate

    26. 3-methyl-1-butanyl Acetate

    27. Chebi:31725

    28. 3-methyl Butyl Ester Acetic Acid

    29. Acetic Acid 3-methyl-butyl Ester

    30. Nsc-9260

    31. Ch3c(o)o(ch2)2ch(ch3)2

    32. Dsstox_cid_5453

    33. Dsstox_rid_77792

    34. Dsstox_gsid_25453

    35. Z135787824

    36. Beta-methylbutyl Acetate

    37. Fema Number 2055

    38. Isoamyl Acetate (natural)

    39. Cas-123-92-2

    40. Ccris 6051

    41. Hsdb 1818

    42. Isoamyl Alcohol Acetate

    43. Einecs 204-662-3

    44. Isoamylester Kyseliny Octove [czech]

    45. Mfcd00008946

    46. Brn 1744750

    47. Isoamylacetat

    48. I-pentylacetate

    49. Ai3-00576

    50. 3-methyl-1-butanol 1-acetate

    51. Acetate D'isoamyle

    52. Amyl Acetate Ester

    53. 3-methylbutyl Ester Of Acetic Acid

    54. Acetate D'isopentyle

    55. Acetic Acid 3-methyl-1-butyl Ester

    56. Unii-z135787824

    57. Nat. Isoamyl Acetate

    58. Beta-methyl Butyl Acetate

    59. Iso Amyl Acetate Natural

    60. Acetate De 3-methylbutyle

    61. Acetic Acid, Isoamyl Ester

    62. Ec 204-662-3

    63. Isopentyl Ester Acetic Acid

    64. .beta.-methyl Butyl Acetate

    65. In Commercial Practice Amyl Invariably Means Isoamyl, Unless It Is Prefaced By The N- For Normal

    66. Schembl27086

    67. Isoamyl Acetate [mi]

    68. 4-02-00-00157 (beilstein Handbook Reference)

    69. Mls002454411

    70. Chembl42013

    71. Isoamyl Acetate [fcc]

    72. Isoamyl Acetate [fhfi]

    73. Isoamyl Acetate [hsdb]

    74. Isoamyl Acetate [inci]

    75. Qspl 103

    76. Acetic Acid-3-methylbutyl Ester

    77. Dtxsid9025453

    78. Fema 2055

    79. Acetic Acid 3-methyl Butyl Ester

    80. Isoamyl Acetate [who-dd]

    81. Nsc9260

    82. Isopentyl Acetate, Lr, >=95%

    83. Hms2270g21

    84. Wln: 1y1 & 2ov1

    85. Zinc388082

    86. Jargonelle Pear Essence (salt/mix)

    87. Tox21_201257

    88. Tox21_300373

    89. Stl280371

    90. Isopentyl Acetate, Analytical Standard

    91. Akos000269068

    92. Isoamyl Acetate, >=95%, Fcc, Fg

    93. Isopentyl Acetate, Anhydrous, >=99%

    94. Isopentyl Acetate, Reagent Grade, 98%

    95. Ncgc00091500-01

    96. Ncgc00091500-02

    97. Ncgc00091500-03

    98. Ncgc00254385-01

    99. Ncgc00258809-01

    100. Bs-19548

    101. Smr001253743

    102. A0033

    103. A0264

    104. Ft-0621746

    105. Isoamyl Acetate, Natural, >=97%, Fcc, Fg

    106. Isopentyl Acetate, Saj First Grade, >=93.0%

    107. Isopentyl Acetate, Saj Special Grade, >=98.0%

    108. A805166

    109. Q221307

    110. J-004996

    111. Isopentyl Acetate, 99%, Cont. Ca 10% Other Isomers

    112. Acetic Acid-3-methylbutyl Ester 1000 Microg/ml In Methanol

    113. Isoamyl Acetate, Natural, 70% Isoamyl Acetate Basis, >=97%

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 130.18 g/mol
    Molecular Formula C7H14O2
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass130.099379685 g/mol
    Monoisotopic Mass130.099379685 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity86.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Biological Half-Life

    No reports found; [TDR, p. 95]

    TDR - Ryan RP, Terry CE, Leffingwell SS (eds). Toxicology Desk Reference: The Toxic Exposure and Medical Monitoring Index, 5th Ed. Washington DC: Taylor & Francis, 1999., p. 95

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